Phyto4Health

Isoliquiritin Apioside

Representations & DB's id

ChEBI: None
ChEMBL: CHEMBL599764
PubChem: 46232188
IUPAC: (E)-3-[4-[(2S,3R,4S,5S,6R)-3-[(2R,3S,4S)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-1-(2,4-dihydroxyphenyl)prop-2-en-1-one
Standard InChI: InChI=1S/C26H30O13/c27-10-19-20(32)21(33)22(39-25-23(34)26(35,11-28)12-36-25)24(38-19)37-15-5-1-13(2-6-15)3-8-17(30)16-7-4-14(29)9-18(16)31/h1-9,19-25,27-29,31-35H,10-12H2/b8-3+/t19-,20-,21+,22-,23-,24-,25-,26+/m1/s1
Standard InChI Key: VMMVZVPAYFZNBM-SXSJKRSNSA-N
SMILES: OC[C@H]1O[C@@H](Oc2ccc(cc2)/C=C/C(=O)c2ccc(cc2O)O)[C@@H]([C@H]([C@@H]1O)O)O[C@H]1OC[C@@]([C@@H]1O)(O)CO

Molecular propeties

AlogP: -1.36
Hydrogen bonds acceptors: 13
Hydrogen bonds donors: 8
Rotatable bonds: 9
Number of rings: 4
Molecular Weight: 550.17
Topological polar surface area: 216
Number of aromatic rings: 2
Fsp3: 0.423
Number of carbons: 26

Plant sources

Part of plant Plant name Ref.
PlantGlycyrrhiza uralensis

In vitro data

Activity Type Activity Value Target Name UniProt ID Ref.